N-(1-Ethoxy-3-hydroxy-1-oxo-3-phenylpropan-2-yl)ethanimidic acid
Basic information
- CAS
6966-29-6- Standard SMILES
CCOC(=O)C(NC(C)=O)C(O)c1ccccc1- InChIKey
SGLBFMMJGKAWGH-UHFFFAOYSA-N- Molecular formula
- C13H17NO4
- Average molar mass
- 251.28 g/mol
- Monoisotopic mass
- 251.11575802
Names & identifiers
- Preferred name
- N-(1-Ethoxy-3-hydroxy-1-oxo-3-phenylpropan-2-yl)ethanimidic acid
- IUPAC
- ethyl 2-acetamido-3-hydroxy-3-phenylpropanoate
Names & synonyms
6966-29-6NSC18764DTXSID40989789N-(1-Ethoxy-3-hydroxy-1-oxo-3-phenylpropan-2-yl)ethanimidic acidNSC-18764EU-0038361SR-01000433699SR-01000433699-1
Database identifiers
- CAS
6966-29-6- PubChem CID
- 227286
- DTXSID
DTXSID40989789
Properties
Computed structural properties
- XLogP
- 0.7
- Topological polar surface area
- 75.6 Ų
- Hydrogen bond donors
- 2
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 6
- Heavy atoms
- 18
- Formal charge
- 0
- Complexity
- 287
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Compound notes
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